compound introduction
J8.178G
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1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid
Dangerous GoodsCAS number：1043-21-6 molecular formula：C16H8N2O5
overview
Specs
| Chinese alias | - | ||
| English alias | EINECS 213-872-4 | 1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid | 27L0EP6IZK | 1-Hydroxy-5-oxo-5H-pyrido[3,2-a]phenoxazine-3-carboxylic acid;1-Hydroxy-5-oxo-5H-pyrido[3,2-a]phenoxazine-3-carboxylic acid | A800955 | PIRENOXINE [WHO-DD] | PIRENOX | ||
| CAS number | 1043-21-6 | molecular formula | C16H8N2O5 |
| molecular weight | 308.24 | Exact mass | - |
| PSA | 105 | logp | 1.3 |
numbering system
| CAS | 1043-21-6 |
| UNII | 27L0EP6IZK |
| KEGG ID | D01100 |
| ChEBI ID | 32013 |
| Wikidata | Q7197959 |
| ChEMBL ID | CHEMBL1372341 |
| Wikipedia | Pirenoxine |
| DrugBank ID | DB15945 |
| DrugCentral | 3476 |
| PubChem CID | 4846 |
| Related CAS | log Kow = -1.54 |
| Nikkaji Number | C750 |
| NCI 词表代码 | 结构-细胞毒性效应研究。 |
| DSSTox Substance ID | DTXSID6048335 |
| European Community (EC) Number | 213-872-4 |
| PubChem Reference Collection SID | 505859562 |
| International Nonproprietary Names (INN) | PIRENOXINE |
physicochemical properties
| XLogP3 | XLogP3-AA: 1.3 |
| 复杂性 | 771 |
| Exact Mass | 308.04332136 |
| 形式电荷 | 0 |
| 重原子计数 | 23 |
| Molecular Weight | 308.24 |
| Monoisotopic Mass | 308.04332136 |
| 可旋转键计数 | 1 |
| 氢键供体计数 | 2 |
| 氢键受体计数 | 7 |
| 共价键单元计数 | 1 |
| 同位素原子计数 | 0 |
| 拓扑极性表面积 | 105 Ų |
| 定义键立体中心计数 | 0 |
| 定义原子立体中心计数 | 0 |
| 未定义键立体中心计数 | 0 |
| 未定义原子手性中心计数 | 0 |
Safety information
危害类别和分类：
急性毒性 4 (100%)
Production methods and uses
purpose
工业应用参考：
工业分类参考：食品制造业。
应用场景参考：常见于生产制造场景，可作为主料、辅料、添加剂或工艺辅助材料参与配方与加工流程 。
作用参考：可作为基础工业材料参与合成、提纯或改性过程，为后续产品制造和工艺放大提供支撑 。
选型提示：采购时应优先考虑适配性、可追溯性和持续供货能力，避免只按价格高低判断材料优劣 。
Related
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MSDS
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